Geometry & MOs

Info

ID:	34088
PubChem CID:	7889762
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	398.11227
ΔH_f, kcal/mol:	-173.45
Dipole, Da:	5.23
IP(EA), eV:	-8.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations